Chemical Properties of 3,9-Dimethylbenz[a]anthracene (CAS 316-51-8)

InChI

InChI=1S/C20H16/c1-13-3-5-15-12-20-17(11-18(15)10-13)7-6-16-9-14(2)4-8-19(16)20/h3-12H,1-2H3

InChI Key

DBPDWIZRMPUWRH-UHFFFAOYSA-N

Formula

C20H16

SMILES

Cc1ccc2cc3c(ccc4cc(C)ccc43)cc2c1

Molecular Weight¹

256.34

CAS

316-51-8

Other Names

• Benz(a)anthracene, 3,9-dimethyl-

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-10233.00 ± 2.00	kJ/mol	NIST
ΔfG°	511.36	kJ/mol	Joback Calculated Property
ΔfH°gas	[189.00; 189.10]	kJ/mol
ΔfH°gas	189.00 ± 3.00	kJ/mol	NIST
ΔfH°gas	189.10	kJ/mol	NIST
ΔfH°solid	[76.00; 76.10]	kJ/mol
ΔfH°solid	76.00 ± 3.00	kJ/mol	NIST
ΔfH°solid	76.10 ± 2.80	kJ/mol	NIST
ΔfusH°	31.10	kJ/mol	Joback Calculated Property
ΔsubH°	[113.00; 113.00]	kJ/mol
ΔsubH°	113.00 ± 2.00	kJ/mol	NIST
ΔsubH°	113.00	kJ/mol	NIST
ΔvapH°	69.96	kJ/mol	Joback Calculated Property
IE	7.20 ± 0.03	eV	NIST
log10WS	-7.84		Crippen Calculated Property
logPoct/wat	5.763		Crippen Calculated Property
McVol	210.520	ml/mol	McGowan Calculated Property
Pc	2200.01	kPa	Joback Calculated Property
Tboil	760.54	K	Joback Calculated Property
Tc	1013.66	K	Joback Calculated Property
Tfus	489.76	K	Joback Calculated Property
Vc	0.814	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[570.63; 652.05]	J/mol×K	[760.54; 1013.66]
Cp,gas	570.63	J/mol×K	760.54	Joback Calculated Property
Cp,gas	586.13	J/mol×K	802.73	Joback Calculated Property
Cp,gas	600.62	J/mol×K	844.91	Joback Calculated Property
Cp,gas	614.28	J/mol×K	887.10	Joback Calculated Property
Cp,gas	627.28	J/mol×K	929.28	Joback Calculated Property
Cp,gas	639.81	J/mol×K	971.47	Joback Calculated Property
Cp,gas	652.05	J/mol×K	1013.66	Joback Calculated Property
η	[0.0006539; 0.0014862]	Pa×s	[489.76; 760.54]
η	0.0014862	Pa×s	489.76	Joback Calculated Property
η	0.0012234	Pa×s	534.89	Joback Calculated Property
η	0.0010381	Pa×s	580.02	Joback Calculated Property
η	0.0009019	Pa×s	625.15	Joback Calculated Property
η	0.0007987	Pa×s	670.28	Joback Calculated Property
η	0.0007181	Pa×s	715.41	Joback Calculated Property
η	0.0006539	Pa×s	760.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,9-Dimethylbenz[a]anthracene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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